ethyl 6-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-chloro-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(5-chloro-1,3-benzothiazol-2-yl)thio]methyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H16ClN3O4S2 MolecularWeight: 449.93104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CSC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CSC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C19H16ClN3O4S2/c1-2-26-17(24)15-12(21-18(25)23-16(15)13-4-3-7-27-13)9-28-19-22-11-8-10(20)5-6-14(11)29-19/h3-8,16H,2,9H2,1H3,(H2,21,23,25)